SCHEMBL9839151

SCHEMBL9839151

CC(C)(C)C(=O)OCN1C(=O)CN(C2CCCCC2N2CC(=O)N(COC(=O)C(C)(C)C)C(=O)C2)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ENO1 P06733 1/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS1 P23219 1/20 0.37
APEX1 P27695 1/20 0.37
THPO P40225 1/20 0.37
PMP22 Q01453 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10366399 0.78 CYP2C9 (0.57) PDE4APDE4BPDE4CPDE4DENO1
SCHEMBL29362852 0.78 POLB (0.38) PDE4APDE4BPDE4CPDE4DENO1
SCHEMBL9914133 0.69 ALDH1A1 (0.58) LMNAPTGS1THPOPMP22POLB
SCHEMBL9046926 0.65 TSHR (0.39) ENO1LMNAKMT2AMEN1CYP3A4
SCHEMBL9720753 0.64 ALDH1A1 (0.37) LMNATDP1GAAALDH1A1
SCHEMBL9720917 0.64 ALDH1A1 (0.37) LMNATDP1GAAALDH1A1
SCHEMBL9720921 0.64 ALDH1A1 (0.37) LMNATDP1GAAALDH1A1
SCHEMBL10263505 0.63 LMNA (0.47) ENO1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL28106918 0.63 ENO1 (0.36) ENO1LMNAKMT2AMEN1TDP1
SCHEMBL10368434 0.63 MEN1 (0.50) LMNAKMT2AMEN1CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3169869-A None JP disclosed
JP-H03169869-A DIOXOPIPERAZINE DERIVATIVE SANKYO CO LTD 1991-07-23 JP disclosed